N-(1-adamantyl)-3-methyl-4-(2-oxidanylidenepyrrolidin-1-yl)benzenesulfonamide

Systemtic Name: N-(1-adamantyl)-3-methyl-4-(2-oxidanylidenepyrrolidin-1-yl)benzenesulfonamide Openeye Name: N-(1-adamantyl)-3-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide CAS Name: N-(1-adamantyl)-3-methyl-4-(2-oxo-1-pyrrolidinyl)benzenesulfonamide IUPAC Name: N-(1-adamantyl)-3-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide Traditional Name: N-(1-adamantyl)-4-(2-ketopyrrolidino)-3-methyl-benzenesulfonamide Formula: C21H28N2O3S MolecularWeight: 388.52362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)NC23CC4CC(C2)CC(C4)C3)N5CCCC5=O

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)NC23CC4CC(C2)CC(C4)C3)N5CCCC5=O

InChI

InChI=1S/C21H28N2O3S/c1-14-7-18(4-5-19(14)23-6-2-3-20(23)24)27(25,26)22-21-11-15-8-16(12-21)10-17(9-15)13-21/h4-5,7,15-17,22H,2-3,6,8-13H2,1H3